Chlorine in PDB 7sel: E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
Enzymatic activity of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
All present enzymatic activity of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3):
7.5.2.6;
7.5.2.6;
Protein crystallography data
The structure of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3), PDB code: 7sel
was solved by
J.Payandeh,
C.M.Koth,
V.A.Verma,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 31.99 / 2.98 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.446, 91.99, 110.655, 90, 90.31, 90 |
| R / Rfree (%) | 25.6 / 29 |
Other elements in 7sel:
The structure of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3) also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
(pdb code 7sel). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3), PDB code: 7sel:
Jump to Chlorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Chlorine where determined in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3), PDB code: 7sel:
Jump to Chlorine binding site number: 1; 2; 3; 4;
Chlorine binding site 1 out of 4 in 7sel
Go back to
Chlorine Binding Sites List in 7sel
Chlorine binding site 1 out
of 4 in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3) within 5.0Å range:
|
Chlorine binding site 2 out of 4 in 7sel
Go back to
Chlorine Binding Sites List in 7sel
Chlorine binding site 2 out
of 4 in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3) within 5.0Å range:
|
Chlorine binding site 3 out of 4 in 7sel
Go back to
Chlorine Binding Sites List in 7sel
Chlorine binding site 3 out
of 4 in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3) within 5.0Å range:
|
Chlorine binding site 4 out of 4 in 7sel
Go back to
Chlorine Binding Sites List in 7sel
Chlorine binding site 4 out
of 4 in the E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of E. Coli Msba in Complex with Lps and Inhibitor G7090 (Compound 3) within 5.0Å range:
|
Reference:
V.A.Verma,
L.Wang,
S.S.Labadie,
J.Liang,
B.D.Sellers,
J.Wang,
L.Dong,
Q.Wang,
S.Zhang,
Z.Xu,
Y.Zhang,
Y.Niu,
X.Wang,
J.Wai,
M.F.T.Koehler,
H.Hu,
M.K.Alexander,
M.Nishiyama,
A.Miu,
Y.Xu,
J.Pang,
A.K.Katakam,
M.Reichelt,
C.D.Austin,
H.Ho,
J.Payandeh,
C.M.Koth.
Discovery of Inhibitors of the Lipopolysaccharide Transporter Msba: From A Screening Hit to Potent Wild-Type Gram-Negative Activity. J.Med.Chem. V. 65 4085 2022.
ISSN: ISSN 0022-2623
PubMed: 35184554
DOI: 10.1021/ACS.JMEDCHEM.1C01909
Page generated: Tue Jul 30 04:07:44 2024
ISSN: ISSN 0022-2623
PubMed: 35184554
DOI: 10.1021/ACS.JMEDCHEM.1C01909
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